2-cyclohex-3-en-1-ylethyl acetate

C10H16O2 — CID 3016034

IUPAC2-cyclohex-3-en-1-ylethyl acetate
SMILESCC(=O)OCCC1CC=CCC1
InChIInChI=1S/C10H16O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3,10H,4-8H2,1H3
InChIKeyHEYMGGRGEJTPBD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About 2-cyclohex-3-en-1-ylethyl acetate

2-cyclohex-3-en-1-ylethyl acetate (PubChem CID 3016034) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylethyl acetate.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylethyl acetate
PubChem CID3016034
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-cyclohex-3-en-1-ylethyl acetate
SMILESCC(=O)OCCC1CC=CCC1
InChIInChI=1S/C10H16O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3,10H,4-8H2,1H3
InChIKeyHEYMGGRGEJTPBD-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylethyl acetate?
The IUPAC name of 2-cyclohex-3-en-1-ylethyl acetate (CID 3016034) is 2-cyclohex-3-en-1-ylethyl acetate.
What is the SMILES notation for 2-cyclohex-3-en-1-ylethyl acetate?
The canonical SMILES for 2-cyclohex-3-en-1-ylethyl acetate is CC(=O)OCCC1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-ylethyl acetate?
The InChIKey is HEYMGGRGEJTPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3,10H,4-8H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-ylethyl acetate?
2-cyclohex-3-en-1-ylethyl acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylethyl acetate is sourced from PubChem (CID 3016034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).